4-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-(1-adamantyl)thiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[4-(1-adamantyl)-2-thiazolyl]amino]-4-oxobutanoate IUPAC Name: 4-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[4-(1-adamantyl)thiazol-2-yl]amino]-4-keto-butyrate Formula: C17H21N2O3S- MolecularWeight: 333.42524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H22N2O3S/c20-14(1-2-15(21)22)19-16-18-13(9-23-16)17-6-10-3-11(7-17)5-12(4-10)8-17/h9-12H,1-8H2,(H,21,22)(H,18,19,20)/p-1